Vitas-M small molecule compound
2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(morpholin-4-ium-4-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-6-methoxyphenolate
Catalog ID
STK562307
SMILES COc1cccc(c1[O-])/C=N/NC(=O)c1nnn(c1C[NH+]1CCOCC1)c1nonc1N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C18H21N9O5 MW 443.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N9O5/c1-30-13-4-2-3-11(15(13)28)9-20-22-18(29)14-12(10-26-5-7-31-8-6-26)27(25-21-14)17-16(19)23-32-24-17/h2-4,9,28H,5-8,10H2,1H3,(H2,19,23)(H,22,29)/b20-9+InChIKey
QYDQQPDJSXQODJ-AWQFTUOYSA-NSynonyms
488802-16-02((E)((1(4amino125oxadiazol3yl)5(morpholin4ium4ylmethyl)triazole4carbonyl)hydrazinylidene)methyl)6methoxyphenolate
2((E)(2((1(4amino125oxadiazol3yl)5(morpholin4ium4ylmethyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)6methoxyphenolate
488802160
COC1=CC=CC(=C1(O))C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)C(NH+)4CCOCC4
COc1cccc(c1(O))C=NNC(=O)c1nnn(c1C(NH+)1CCOCC1)c1nonc1N
InChI=1SC18H21N9O5c1301342311(15(13)28)9202218(29)1412(102657318626)27(252114)1716(19)23322417h24928H5810H21H3(H21923)(H2229)b209+
MFCD02156280
ZINC000020079821
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